2-(7-fluoro-3H-indol-3-yl)acetic acid

C10H8FNO2 — CID 154626630

IUPAC2-(7-fluoro-3H-indol-3-yl)acetic acid
SMILESO=C(O)CC1C=Nc2c(F)cccc21
InChIInChI=1S/C10H8FNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5-6H,4H2,(H,13,14)
InChIKeyXIKOXTGLVHYBIE-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.10
Rot. Bonds2

About 2-(7-fluoro-3H-indol-3-yl)acetic acid

2-(7-fluoro-3H-indol-3-yl)acetic acid (PubChem CID 154626630) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-(7-fluoro-3H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-3H-indol-3-yl)acetic acid
PubChem CID154626630
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-(7-fluoro-3H-indol-3-yl)acetic acid
SMILESO=C(O)CC1C=Nc2c(F)cccc21
InChIInChI=1S/C10H8FNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5-6H,4H2,(H,13,14)
InChIKeyXIKOXTGLVHYBIE-UHFFFAOYSA-N
XLogP2.10
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3H-indol-3-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-3H-indol-3-yl)acetic acid (CID 154626630) is 2-(7-fluoro-3H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-3H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-3H-indol-3-yl)acetic acid is O=C(O)CC1C=Nc2c(F)cccc21.
What is the InChIKey of 2-(7-fluoro-3H-indol-3-yl)acetic acid?
The InChIKey is XIKOXTGLVHYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5-6H,4H2,(H,13,14).
What are the key properties of 2-(7-fluoro-3H-indol-3-yl)acetic acid?
2-(7-fluoro-3H-indol-3-yl)acetic acid has a molecular weight of 193.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3H-indol-3-yl)acetic acid is sourced from PubChem (CID 154626630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).